Compound C25H31BrN2O4

(2R,5S,8R,9S,10S,13S,14S)-2-bromo-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

CAS: 51354-35-9

Molecular Formula	`C25H31BrN2O4`
Molecular Weight	503.4 g/mol
LogP	6.5
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	502.14673
Heavy Atoms	32
Complexity	804.0

Chemical Identifiers

CAS Number	51354-35-9
SMILES	`CC12CCC3C(C1CCC2=O)CCC4C3(CC(C(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)Br)C`
InChIKey	`VAVMQQNNCHMREK-BREUYADASA-N`

📖 Product Overview

Compound C25H31BrN2O4 (CAS: 51354-35-9) is a chemical compound with molecular formula C25H31BrN2O4 and molecular weight 503.4 g/mol. Its IUPAC systematic name is (2R,5S,8R,9S,10S,13S,14S)-2-bromo-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one. LogP 6.5 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 502.14673 Heavy Atoms 32 Complexity 804.0 InChI Key: VAVMQQNNCHMREK-BREUYADASA-N. SMILES: CC12CCC3C(C1CCC2=O)CCC4C3(CC(C(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)Br)C.

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